(E)-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pent-3-en-1-imine

C11H18N2 — CID 144815538

IUPAC(E)-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pent-3-en-1-imine
SMILESC/C=C(\C/C=N/C)C1=CCNCC1
InChIInChI=1S/C11H18N2/c1-3-10(4-7-12-2)11-5-8-13-9-6-11/h3,5,7,13H,4,6,8-9H2,1-2H3/b10-3+,12-7+
InChIKeyAMGQNSKTICDWPZ-NTMHYSSASA-N
MW178.28 g/mol
LogP1.94
Rot. Bonds3

About (E)-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pent-3-en-1-imine

(E)-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pent-3-en-1-imine (PubChem CID 144815538) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (E)-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pent-3-en-1-imine.

Molecular Properties

Compound Name(E)-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pent-3-en-1-imine
PubChem CID144815538
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(E)-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pent-3-en-1-imine
SMILESC/C=C(\C/C=N/C)C1=CCNCC1
InChIInChI=1S/C11H18N2/c1-3-10(4-7-12-2)11-5-8-13-9-6-11/h3,5,7,13H,4,6,8-9H2,1-2H3/b10-3+,12-7+
InChIKeyAMGQNSKTICDWPZ-NTMHYSSASA-N
XLogP1.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(1E,2R)-N-[3-(4-fluorocyclohexa-1,3-dien-1-yl)propyl]-1-hydrazinylidenepropan-2-amine
CID 172940092
N-[3-butyl-6-(difluoromethyl)-1,2-dihydropyridin-4-yl]ethanimine
CID 154643434
N-propyl-6,7,8,8a-tetrahydroquinolin-7-amine
CID 57021708
N'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylhexane-1,6-diamine
CID 71063508
N-[(2-methyl-2,3-dihydropyridin-4-yl)methyl]ethanamine
CID 89030889
2-(2-Butan-2-ylidenepiperidin-3-ylidene)ethylidene-dimethylazanium
CID 123426179
3-(2,3-dihydropyridin-5-yl)-N-methylpropan-1-amine
CID 123487173
N'-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propane-1,3-diimine
CID 123571231
1-imino-N,7-dimethyl-4-methylideneoct-6-en-2-amine
CID 123641838
(Z)-N,7-dimethyl-6-(2-methyliminoethyl)-5-prop-1-enyloct-5-en-1-amine
CID 123691013
N-methyl-5-methylidene-3-(methyliminomethyl)-4-propylhepta-3,6-dien-1-amine
CID 123736016
3-(2,3-dihydropyridin-4-yl)-N-methylpropan-1-amine
CID 123947708

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pent-3-en-1-imine?
The IUPAC name of (E)-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pent-3-en-1-imine (CID 144815538) is (E)-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pent-3-en-1-imine.
What is the SMILES notation for (E)-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pent-3-en-1-imine?
The canonical SMILES for (E)-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pent-3-en-1-imine is C/C=C(\C/C=N/C)C1=CCNCC1.
What is the InChIKey of (E)-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pent-3-en-1-imine?
The InChIKey is AMGQNSKTICDWPZ-NTMHYSSASA-N. The full InChI is InChI=1S/C11H18N2/c1-3-10(4-7-12-2)11-5-8-13-9-6-11/h3,5,7,13H,4,6,8-9H2,1-2H3/b10-3+,12-7+.
What are the key properties of (E)-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pent-3-en-1-imine?
(E)-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pent-3-en-1-imine has a molecular weight of 178.28 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pent-3-en-1-imine is sourced from PubChem (CID 144815538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).